Conditions | Yield |
---|---|
With C20H44Cl4N8O4P4Pd2S2; water at 30℃; for 9h; Reagent/catalyst; | 100% |
With cisplatin In water at 37℃; for 120h; | 67% |
With water; mercury(II) sulfate |
Conditions | Yield |
---|---|
With sodium methylate In methanol for 4.5h; Ambient temperature; | 96% |
4-oxopentyl formate
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With sodium methylate In methanol for 1.5h; | 95% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide In acetic acid for 10h; Ambient temperature; | A 94% B 6% |
1,4-Pentanediol
acetic acid
A
5-Hydroxy-2-pentanone
B
4-oxopentyl acetate
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide for 10h; Ambient temperature; | A 94% B 6% |
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With bis-[(trifluoroacetoxy)iodo]benzene; sodium iodide In dichloromethane at 20℃; for 0.25h; Ring cleavage; De(monothio)acetalization; | 90% |
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 2h; | 78% |
3-acetyl-2-oxo-4,5-dihydrofuran
A
4-butanolide
B
5-Hydroxy-2-pentanone
C
ethyl 4-hydroxybutanoate
D
ethyl 4-(acetyloxy)butanoate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 75% B 5% C 8% D 12% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 75% B 3% C 8% D 12% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; Product distribution; other reagent/educt ratio,; | A 15% B 16% C 4% D 62% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 15% B 16% C 4% D 62% |
Conditions | Yield |
---|---|
With hydrogen In water at 80℃; under 1500.15 Torr; for 20.4167h; Pressure; Temperature; Reagent/catalyst; Autoclave; | 72% |
With carbon dioxide; water; hydrogen at 60℃; under 30003 Torr; for 36h; Temperature; Autoclave; | |
With hydrogen In water at 80℃; under 7500.75 Torr; for 10h; Temperature; Reagent/catalyst; Pressure; Autoclave; Molecular sieve; | |
With hydrogen In water at 80℃; under 1500.15 Torr; for 20h; |
1,4-Pentanediol
A
5-Hydroxy-2-pentanone
B
3-methyltetrahydro-2-furanone
Conditions | Yield |
---|---|
With aluminum oxide; potassium permanganate; copper(II) sulfate at 20℃; for 36h; | A 30% B 70% |
3-diphenylphosphinoyl-5-hydroxypentan-2-one
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 60℃; for 2h; | 65% |
With sodium hydroxide In ethanol at 60℃; for 3h; | 53% |
Cyclopropyl methyl ketone
A
2-Methyl-tetrahydro-furan-2-ol
B
5-(2-methyl-tetrahydrofuran-2-yloxy)pentan-2-one
C
5-Hydroxy-2-pentanone
D
6-oxaundeca-2,10-dione
Conditions | Yield |
---|---|
With copper(ll) bromide In diethyl ether; water at 180℃; for 6h; | A n/a B n/a C n/a D 64% |
furfural
A
Tetrahydrofurfuryl alcohol
B
1,4-Pentanediol
C
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With hydrogen; toluene-4-sulfonic acid In water at 140℃; under 11251.1 Torr; for 4h; Autoclave; | A 19% B 63% C 8% |
With carbon dioxide; hydrogen In water at 80℃; under 30003 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave; | A 8% B 57% C 15% |
Conditions | Yield |
---|---|
With carbon dioxide; hydrogen at 60℃; under 30003 Torr; for 0.25h; Autoclave; | 62% |
Conditions | Yield |
---|---|
With tris(cetylpyridinium) 12-tungstophosphate; dihydrogen peroxide In tert-butyl alcohol for 24h; Heating; | A 60% B 30% |
With copper chromite; silica gel; stearic acid | |
With sodium hydroxide; copper chromite; stearic acid |
Conditions | Yield |
---|---|
With 3,3-dimethyldioxirane In acetone | 60% |
With Celite; silver carbonate In benzene for 1h; Heating; | |
With water; fluorine; acetonitrile In chloroform at -10 - 0℃; | |
With Rhodococcus ruber DSM 44541 In acetone at 30℃; for 48h; pH=7.5; | |
With palladium on activated charcoal at 120 - 300℃; Reagent/catalyst; |
Conditions | Yield |
---|---|
With hydrogen In water at 80℃; under 1500.15 Torr; for 20.4167h; Pressure; Temperature; Reagent/catalyst; Autoclave; | A 17% B 56% |
With hydrogen In water at 80℃; under 1500.15 Torr; for 20h; |
3-acetyl-2-oxo-4,5-dihydrofuran
A
5-Hydroxy-2-pentanone
B
3-hydroxy-4-(2-hydroxyethyl)-5-methylisoxazole
Conditions | Yield |
---|---|
With sodium hydroxide; hydroxylamine hydrochloride at 0 - 5℃; for 1h; | A 24 % Chromat. B 48% |
1,4-Pentanediol
A
5-Hydroxy-2-pentanone
B
4-oxopentanal
C
5-methyl-dihydro-furan-2-one
Conditions | Yield |
---|---|
With oxygen In 2,4-dichlorophenoxyacetic acid dimethylamine; toluene at 80℃; for 4h; | A n/a B n/a C 44% |
furfural
A
Tetrahydrofurfuryl alcohol
B
(2-furyl)methyl alcohol
C
1,4-Pentanediol
D
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With hydrogen In water at 140℃; under 11251.1 Torr; for 4h; Autoclave; | A 26% B 8% C 36% D 18% |
furfural
A
Tetrahydrofurfuryl alcohol
B
(2-furyl)methyl alcohol
C
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With carbon dioxide; hydrogen In water at 80℃; under 30003 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Autoclave; | A 11% B 26% C 10% |
pent-1-yn-5-ol
A
5-(2-methyl-tetrahydrofuran-2-yloxy)pentan-2-one
B
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With cisplatin In water at 37℃; for 48h; | A 22% B n/a |
Conditions | Yield |
---|---|
With pyridine; oxygen; isopropyl alcohol; palladium diacetate In toluene at 60℃; for 6h; Oxidation; | 21% |
With Rh(III)(tetra(p-sulfonatophenyl)porphyrinato)(OD2)2(3-); water at 60℃; pH=9; borate buffer; |
Conditions | Yield |
---|---|
Stage #1: 5-hexenoic acid; 2-Chloroethyl chloroformate With triethylamine In tetrahydrofuran at -20℃; for 0.75h; Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water at 0℃; for 3h; | 5% |
Conditions | Yield |
---|---|
Erwaermen des entstandenen α-Acetyl-butyrolactons mit 5prozentiger HCl; |
Conditions | Yield |
---|---|
With hydrogenchloride; water; hydrogen; palladium dichloride at 55 - 60℃; under 1520 - 1900 Torr; Product distribution; effect of catalyst poisons; | |
With diethyl ether; oxygen; dinitrogen tetraoxide at 30 - 40℃; | |
With calcium hypochlorite; acetic acid at 20℃; for 1h; regioselective reaction; | |
With diethyl ether; oxygen; manganese(II) acetate at 70℃; |
Conditions | Yield |
---|---|
With potassium tert-butylate; tert-butyl alcohol anschliessendes Behandeln mit wss.Schwefelsaeure; |
Conditions | Yield |
---|---|
With potassium hydroxide; triethanolamine anschliessendes Behandeln mit wss.Schwefelsaeure; |
Conditions | Yield |
---|---|
With water | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride; palladium on activated charcoal; acetone Hydrogenation; | |
With formic acid; nickel kieselguhr; hydrogen at 150℃; under 77228.3 Torr; Hydrogenation.Reagens 4: Wasser; Reagens 5: Dioxan; | |
With hydrogen In acetone | |
With 5%-palladium/activated carbon; water; hydrogen at 28℃; for 3h; Reagent/catalyst; Temperature; | 448 g |
Conditions | Yield |
---|---|
With zirconium dioxide hydrate; isopropyl alcohol at 130℃; for 0.666667h; Meerwein-Ponndorf-Verley Reduction; | 100% |
With K12(Ga4(1,5-bis(2,3-dihydroxybenzamido)naphthalene))6; potassium phosphate; borane pyridine In water-d2 at 20℃; Inert atmosphere; | 68% |
With sodium hydroxide; sodium tetrahydroborate In methanol |
5-Hydroxy-2-pentanone
tert-butyldimethylsilyl chloride
5-((tert-butyldimethylsilyl)oxy)pentan-2-one
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide Inert atmosphere; | 99% |
With 1H-imidazole In N,N-dimethyl-formamide for 12h; Ambient temperature; | 89% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 4.5h; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
With ammonium hydroxide; hydrogen In ethanol; water at 80℃; under 15001.5 Torr; for 2h; Autoclave; | 99% |
Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; sodium hydrogencarbonate 2: nickel; hydrogen View Scheme |
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane at 20℃; | 97% |
With 1H-imidazole In dichloromethane at 20℃; | 77% |
Conditions | Yield |
---|---|
With 2,3-Dihydro-1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene In neat (no solvent) at 50℃; for 5h; Glovebox; Inert atmosphere; Schlenk technique; chemoselective reaction; | 96% |
With copper (I) tert-butoxide; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 24℃; for 5h; | 84% |
1.3-propanedithiol
5-Hydroxy-2-pentanone
2-methyl 2-(3'-hydroxypropyl-1')-1,3-dithiane
Conditions | Yield |
---|---|
With copper bis(dodecyl sulfate) In water at 20℃; for 6h; Inert atmosphere; | 96% |
With vanadyl trifluoromethanesulfonate In dichloromethane; acetonitrile at 20℃; for 17h; Inert atmosphere; chemoselective reaction; | 87% |
Conditions | Yield |
---|---|
With pyridine at 20℃; for 12h; | 96% |
1-methylindole
5-Hydroxy-2-pentanone
3-(tetrahydro-2-methylfuran-2-yl)-1-methyl-1H-indole
Conditions | Yield |
---|---|
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 40℃; | 96% |
Conditions | Yield |
---|---|
With C20H44Cl4N8O4P4Pd2S2; water at 30℃; for 9h; Reagent/catalyst; | 100% |
With cisplatin In water at 37℃; for 120h; | 67% |
With water; mercury(II) sulfate |
Conditions | Yield |
---|---|
With sodium methylate In methanol for 4.5h; Ambient temperature; | 96% |
4-oxopentyl formate
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With sodium methylate In methanol for 1.5h; | 95% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide In acetic acid for 10h; Ambient temperature; | A 94% B 6% |
1,4-Pentanediol
acetic acid
A
5-Hydroxy-2-pentanone
B
4-oxopentyl acetate
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII); sodium bromide for 10h; Ambient temperature; | A 94% B 6% |
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With bis-[(trifluoroacetoxy)iodo]benzene; sodium iodide In dichloromethane at 20℃; for 0.25h; Ring cleavage; De(monothio)acetalization; | 90% |
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 2h; | 78% |
3-acetyl-2-oxo-4,5-dihydrofuran
A
4-butanolide
B
5-Hydroxy-2-pentanone
C
ethyl 4-hydroxybutanoate
D
ethyl 4-(acetyloxy)butanoate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 75% B 5% C 8% D 12% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 75% B 3% C 8% D 12% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; Product distribution; other reagent/educt ratio,; | A 15% B 16% C 4% D 62% |
With sodium hydroxide In ethanol; water at 200℃; for 2h; | A 15% B 16% C 4% D 62% |
Conditions | Yield |
---|---|
With hydrogen In water at 80℃; under 1500.15 Torr; for 20.4167h; Pressure; Temperature; Reagent/catalyst; Autoclave; | 72% |
With carbon dioxide; water; hydrogen at 60℃; under 30003 Torr; for 36h; Temperature; Autoclave; | |
With hydrogen In water at 80℃; under 7500.75 Torr; for 10h; Temperature; Reagent/catalyst; Pressure; Autoclave; Molecular sieve; | |
With hydrogen In water at 80℃; under 1500.15 Torr; for 20h; |
1,4-Pentanediol
A
5-Hydroxy-2-pentanone
B
3-methyltetrahydro-2-furanone
Conditions | Yield |
---|---|
With aluminum oxide; potassium permanganate; copper(II) sulfate at 20℃; for 36h; | A 30% B 70% |
3-diphenylphosphinoyl-5-hydroxypentan-2-one
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 60℃; for 2h; | 65% |
With sodium hydroxide In ethanol at 60℃; for 3h; | 53% |
Cyclopropyl methyl ketone
A
2-Methyl-tetrahydro-furan-2-ol
B
5-(2-methyl-tetrahydrofuran-2-yloxy)pentan-2-one
C
5-Hydroxy-2-pentanone
D
6-oxaundeca-2,10-dione
Conditions | Yield |
---|---|
With copper(ll) bromide In diethyl ether; water at 180℃; for 6h; | A n/a B n/a C n/a D 64% |
furfural
A
Tetrahydrofurfuryl alcohol
B
1,4-Pentanediol
C
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With hydrogen; toluene-4-sulfonic acid In water at 140℃; under 11251.1 Torr; for 4h; Autoclave; | A 19% B 63% C 8% |
With carbon dioxide; hydrogen In water at 80℃; under 30003 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave; | A 8% B 57% C 15% |
Conditions | Yield |
---|---|
With carbon dioxide; hydrogen at 60℃; under 30003 Torr; for 0.25h; Autoclave; | 62% |
Conditions | Yield |
---|---|
With tris(cetylpyridinium) 12-tungstophosphate; dihydrogen peroxide In tert-butyl alcohol for 24h; Heating; | A 60% B 30% |
With copper chromite; silica gel; stearic acid | |
With sodium hydroxide; copper chromite; stearic acid |
Conditions | Yield |
---|---|
With 3,3-dimethyldioxirane In acetone | 60% |
With Celite; silver carbonate In benzene for 1h; Heating; | |
With water; fluorine; acetonitrile In chloroform at -10 - 0℃; | |
With Rhodococcus ruber DSM 44541 In acetone at 30℃; for 48h; pH=7.5; | |
With palladium on activated charcoal at 120 - 300℃; Reagent/catalyst; |
Conditions | Yield |
---|---|
With hydrogen In water at 80℃; under 1500.15 Torr; for 20.4167h; Pressure; Temperature; Reagent/catalyst; Autoclave; | A 17% B 56% |
With hydrogen In water at 80℃; under 1500.15 Torr; for 20h; |
3-acetyl-2-oxo-4,5-dihydrofuran
A
5-Hydroxy-2-pentanone
B
3-hydroxy-4-(2-hydroxyethyl)-5-methylisoxazole
Conditions | Yield |
---|---|
With sodium hydroxide; hydroxylamine hydrochloride at 0 - 5℃; for 1h; | A 24 % Chromat. B 48% |
1,4-Pentanediol
A
5-Hydroxy-2-pentanone
B
4-oxopentanal
C
5-methyl-dihydro-furan-2-one
Conditions | Yield |
---|---|
With oxygen In 2,4-dichlorophenoxyacetic acid dimethylamine; toluene at 80℃; for 4h; | A n/a B n/a C 44% |
furfural
A
Tetrahydrofurfuryl alcohol
B
(2-furyl)methyl alcohol
C
1,4-Pentanediol
D
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With hydrogen In water at 140℃; under 11251.1 Torr; for 4h; Autoclave; | A 26% B 8% C 36% D 18% |
furfural
A
Tetrahydrofurfuryl alcohol
B
(2-furyl)methyl alcohol
C
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With carbon dioxide; hydrogen In water at 80℃; under 30003 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Autoclave; | A 11% B 26% C 10% |
pent-1-yn-5-ol
A
5-(2-methyl-tetrahydrofuran-2-yloxy)pentan-2-one
B
5-Hydroxy-2-pentanone
Conditions | Yield |
---|---|
With cisplatin In water at 37℃; for 48h; | A 22% B n/a |
Molecule structure of 3-Acetyl-1-propanol (CAS NO.1071-73-4):
IUPAC: 5-Hydroxypentan-2-one
Molecular Formula: C5H10O2
Molecular Weight: 102.13 g/mol
Density: 1.007 g/mL at 25 °C(lit.)
Boiling Point: 204 °C at 760 mmHg
Flash Point: 93.3 °C
Index of Refraction: 1.42
Molar Refractivity: 26.77 cm3
Molar Volume: 105.6 cm3
Surface Tension: 32.7 dyne/cm
XLogP3-AA: -0.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 102.06808
MonoIsotopic Mass: 102.06808
Topological Polar Surface Area: 37.3
Heavy Atom Count: 7
Canonical SMILES: CC(=O)CCCO
InChI: InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
InChIKey: JSHPTIGHEWEXRW-UHFFFAOYSA-N
EINECS: 213-994-8
Product Categories: straight chain compounds
3-Acetyl-1-propanol (CAS NO.1071-73-4) is used as an important pharmaceutical intermediate for the production of chloroquine phosphate, which is an antimalarial. It can also be used in the production of vitamin B1.
1. | orl-rat LD50:6400 mg/k | TNICS* Toxicology of New Industrial Chemical Substances. 13 (1973),118. | ||
2. | ihl-rat LC:>2 g/m3/4H | TNICS* Toxicology of New Industrial Chemical Substances. 13 (1973),118. | ||
3. | orl-mus LD50:1960 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),103. | ||
4. | ihl-mus LC:>2 g/m3/4H | TNICS* Toxicology of New Industrial Chemical Substances. 13 (1973),118. | ||
5. | orl-rbt LDLo:3500 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),103. | ||
6. | orl-gpg LD50:2260 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),103. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: UA4600000
Moderately toxic by ingestion and inhalation. When heated to decomposition it emits acrid smoke.
3-Acetyl-1-propanol (CAS NO.1071-73-4) is also named as 3-Acetopropanol ; 3-Acetyl-1-propanol ; 3-Acetylpropanol ; 4-01-00-04006 (Beilstein Handbook Reference) ; 5-Hydroxy-2-pentanone ; AI3-08030 ; BRN 1740387 ; NSC 19158 ; NSC 33940 ; Propanol, 3-acetyl- ; gamma-Acetopropanol ; gamma-Acetylpropyl alcohol . 3-Acetyl-1-propanol (CAS NO.1071-73-4) is clear colorless liquid. It is miscible with water, soluble in alcohol and ether. 3-Acetyl-1-propanol should be kept away from heat, sparks, and flame and sources of ignition. Then it should be stored in a tightly closed container and stored in a cool, dry, well-ventilated area away from incompatible substances.
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